Soutenance de thèse Stefano Battaglia (LCPQ), Mardi 16 octobre, 14H

Titre : Electronic Structure and Molecular Dynamics Applications of Carbon Nanotubes

Lieu : salle 20, IRSAMC (RDC), Bat. IIIr1-B4

Abstract : During this thesis, we have carried out a series of theoretical investigations revolving around carbon nanotubes, exploring and exploiting their properties. In particular, I will present the results of semi-empirical and ab initio studies on cyclacenes (the shortest possible zigzag carbon nanotube), the encapsulation of different pure-nitrogen molecules inside carbon nanotubes with the objective of stabilizing and storing these energetic compounds and lastly, the confinement of linear beryllium chains, whose magnetic properties can be controlled by the size of the surrounding carbon nanostructure.

rechercher sur site